Nd4CuAg
Alexandria ALEXAlex-ID: agm005933552 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_506_spg123
NdCu Nd NdAg
2023-07-28 03:48:53.126804
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005933552).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005933552
data_agm005933552
_cell_length_a 3.66065
_cell_length_b 3.66065
_cell_length_c 12.82971
_cell_angle_alpha 89.99768
_cell_angle_beta 89.99768
_cell_angle_gamma 89.99999
_cell_volume 171.92236
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nd1 Nd 0.49995 0.49995 0.86593 1.00000
Nd2 Nd 0.50005 0.50005 0.13407 1.00000
Nd3 Nd 0.99995 0.99995 0.65327 1.00000
Nd4 Nd 0.00005 0.00005 0.34673 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.50000 0.50000 0.50000 1.00000
